Mol:FL3FAGGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.5168 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5168 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5168 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5168 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2312 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2312 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9457 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9457 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9457 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9457 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2312 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2312 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1977 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1977 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9122 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9122 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9122 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9122 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1977 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1977 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3411 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3411 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0556 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0556 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0556 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0556 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3411 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3411 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9122 -0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9122 -0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7701 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7701 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3411 -0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3411 -0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4776 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4776 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2312 3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2312 3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5587 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5587 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9519 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9519 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1340 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1340 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5625 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5625 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2905 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2905 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1085 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1085 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6798 0.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6798 0.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7701 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7701 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6577 -1.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6577 -1.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5653 -1.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5653 -1.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4914 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4914 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8613 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8613 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0435 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0435 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4720 -2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4720 -2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2000 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2000 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0180 -1.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0180 -1.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5893 -2.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5893 -2.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6604 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6604 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5466 -3.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5466 -3.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5780 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5780 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4010 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4010 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 31 1 0 0 0 0 | + | 37 31 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAGGS0007 | + | ID FL3FAGGS0007 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES Oc(c1)cc(O2)c(C(=O)C=C(c(c3)cc(c(c(OC(C5O)OC(C(C5O)OC(O4)C(O)C(C(C(C)4)O)O)C)3)O)O)2)c1O | + | SMILES Oc(c1)cc(O2)c(C(=O)C=C(c(c3)cc(c(c(OC(C5O)OC(C(C5O)OC(O4)C(O)C(C(C(C)4)O)O)C)3)O)O)2)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
0.5168 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5168 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1977 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1977 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3411 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0556 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0556 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3411 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 -0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7701 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3411 -0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4776 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5587 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9519 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5625 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1085 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 0.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6577 -1.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5653 -1.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4914 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0435 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0180 -1.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 -2.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6604 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 -3.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4010 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 31 1 0 0 0 0
27 22 1 0 0 0 0
S SKP 5
ID FL3FAGGS0007
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES Oc(c1)cc(O2)c(C(=O)C=C(c(c3)cc(c(c(OC(C5O)OC(C(C5O)OC(O4)C(O)C(C(C(C)4)O)O)C)3)O)O)2)c1O
M END
